Exploration of the forbidden regions of the Ramachandran plot (ϕ-ψ) with QTAIM-Reference-Cited by-同舟云学术

Exploration of the forbidden regions of the Ramachandran plot (ϕ-ψ) with QTAIM

Published:2017 Issue:38 Volume:19 Page:26423-26434
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Momen Roya¹²³⁴⁵,Azizi Alireza¹²³⁴⁵,Wang Lingling¹²³⁴⁵,Ping Yang¹²³⁴⁵,Xu Tianlv¹²³⁴⁵,Kirk Steven R.¹²³⁴⁵,Li Wenxuan⁶⁷⁸⁹,Manzhos Sergei⁶⁷⁸⁹^ORCID,Jenkins Samantha¹²³⁴⁵^ORCID

Affiliation:

1. Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research and Key Laboratory of Resource Fine-Processing and Advanced Materials of Hunan Province of MOE

2. College of Chemistry and Chemical Engineering

3. Hunan Normal University

4. Changsha

5. China

6. Department of Mechanical Engineering

7. National University of Singapore

8. Singapore 117576

9. Singapore

Abstract

Left: Response β is defined as: β = arccos(e̲₂·y̲) with β* = arccos(e̲₁·y̲). Right: QTAIM interpreted Ramachandran plots {(β_ϕ,β_ϕ*)-(β_ψ,β_ψ*)} ‘-’ is a hyphen and not a subtraction sign. Pale green and dark green crosses indicate the glycine, pink and red pluses represent the remaining amino acids (a.a.) in the magainin peptide structure.